Multiscale modelling investigation of wood modification with acetic anhydride-Reference-Cited by-同舟云学术

Multiscale modelling investigation of wood modification with acetic anhydride

Published:2020 Issue:48 Volume:22 Page:28448-28458
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Ponnuchamy Veerapandian¹²³⁴⁵^ORCID,Sandak Anna¹²³⁶⁵^ORCID,Sandak Jakub¹²³⁴⁵^ORCID

Affiliation:

1. InnoRenew CoE

2. 6310 Izola

3. Slovenia

4. Andrej Marušič Institute

5. University of Primorska

6. Faculty of Mathematics

Abstract

This combined DFT and MD simulations have provided significant insights for understanding the key interactions between cellobiose and lignin models with acetic anhydride in the wood modification process.

Funder

Javna Agencija za Raziskovalno Dejavnost RS

Horizon 2020 Framework Programme

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP05165A

Reference60 articles.

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3. R. M. Rowell and J. P.Dickerson , Deterioration and Protection of Sustainable Biomaterials , American Chemical Society , 2014 , vol. 1158, pp. 301–327

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